Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6167958

N#Cc1ccccc1-c1ccc(CCOC(=O)NC(=O)[C@@H](N)Cc2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.43
PRSS1 P07477 14/20 0.43
PRSS2 P07478 12/20 0.43
PRSS3 P35030 12/20 0.43
F10 P00742 4/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
F7 P08709 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
TMPRSS6 Q8IU80 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL6170694 0.86 F2 (0.54) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6170713 0.80 F2 (0.43) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6173600 0.79 PRSS1 (0.57) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6170048 0.78 F2 (0.46) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6172396 0.78 F2 (0.51) F2PRSS1F10F7TMPRSS6
Trifluoroacetic Acid SCHEMBL6164993 0.77 F10 (0.54) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6173092 0.77 F2 (0.54) F2PRSS1F10F7TMPRSS6
Trifluoroacetic Acid SCHEMBL6174580 0.77 F10 (0.52) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6164347 0.77 F10 (0.58) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6162719 0.76 F9 (0.48) F2PRSS1PRSS2PRSS3F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed